N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride

C13H21ClN2O2S2 — CID 120714741

IUPACN-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(SC)cc2)C1.Cl
InChIInChI=1S/C13H20N2O2S2.ClH/c1-14-11-4-3-9-15(10-11)19(16,17)13-7-5-12(18-2)6-8-13;/h5-8,11,14H,3-4,9-10H2,1-2H3;1H
InChIKeyKACXHRVHCUJUNB-UHFFFAOYSA-N
MW336.91 g/mol
LogP2.20
Rot. Bonds4

About N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride

N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120714741) has the molecular formula C13H21ClN2O2S2 and a molecular weight of 336.91 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120714741
Molecular FormulaC13H21ClN2O2S2
Molecular Weight336.91 g/mol
Exact Mass336.07
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(SC)cc2)C1.Cl
InChIInChI=1S/C13H20N2O2S2.ClH/c1-14-11-4-3-9-15(10-11)19(16,17)13-7-5-12(18-2)6-8-13;/h5-8,11,14H,3-4,9-10H2,1-2H3;1H
InChIKeyKACXHRVHCUJUNB-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714757
1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine
CID 120999241
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
1-(1,3-benzodioxol-5-ylsulfonyl)-N-methylpiperidin-3-amine
CID 110868407
N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
CID 55663474

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 120714741) is N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)c2ccc(SC)cc2)C1.Cl.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is KACXHRVHCUJUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2.ClH/c1-14-11-4-3-9-15(10-11)19(16,17)13-7-5-12(18-2)6-8-13;/h5-8,11,14H,3-4,9-10H2,1-2H3;1H.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).